Vitas-M small molecule compound

5-(2-methylpropyl)-8-(methylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

Catalog ID
STK721368
SMILES CSc1ncnc2c1sc1c2c2CCCCc2c(n1)CC(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C18H21N3S2 MW 343.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3S2/c1-10(2)8-13-11-6-4-5-7-12(11)14-15-16(23-17(14)21-13)18(22-3)20-9-19-15/h9-10H,4-8H2,1-3H3
InChIKey
LSRSCSFXFBGLBO-UHFFFAOYSA-N
Synonyms
384367-91-3
384367913
5(2methylpropyl)8(methylsulfanyl)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
5isobutyl8(methylthio)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CC(C)CC1=C2CCCCC2=C3C4=C(C(=NC=N4)SC)SC3=N1
InChI=1SC18H21N3S2c110(2)81311645712(11)141516(2317(14)2113)18(223)2091915h910H48H213H3
MFCD03284704
ZINC000000547602
ZINC00547602
ZINC547602

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.